units     metal
timestep	0.001
atom_style	angle

read_data	MWNT_9-9_and_14-14.data

pair_style airebo 3.0
pair_coeff	* * ../potentials/CH.airebo C C 


# define groups
group tube1 molecule 1
group tube2 molecule 2

dump lammpstrjDump all atom 50 MWNT_9-9_and_14-14.lammpstrj.gz 
thermo 50 
compute temp1 tube1 temp
fix tempavg1 tube1 ave/time  1 100 100  c_temp1 file MWNT_9-9_and_14-14.temp.tube1
compute temp2 tube2 temp
fix tempavg2 tube2 ave/time  1 99 100  c_temp2 file MWNT_9-9_and_14-14.temp.tube2

minimize 1.0e-4 1.0e-4 100000 1000000


fix integrator all nve
fix thermostat all langevin 300 300 1 52245 

run 250